hexylsulfonylurea

C7H16N2O3S — CID 88600291

IUPAChexylsulfonylurea
SMILESCCCCCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C7H16N2O3S/c1-2-3-4-5-6-13(11,12)9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyGDTYBLJDMHNTAX-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.56
Rot. Bonds6

About hexylsulfonylurea

hexylsulfonylurea (PubChem CID 88600291) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is hexylsulfonylurea.

Molecular Properties

Compound Namehexylsulfonylurea
PubChem CID88600291
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Namehexylsulfonylurea
SMILESCCCCCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C7H16N2O3S/c1-2-3-4-5-6-13(11,12)9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyGDTYBLJDMHNTAX-UHFFFAOYSA-N
XLogP0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexylsulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexylsulfonylurea?
The IUPAC name of hexylsulfonylurea (CID 88600291) is hexylsulfonylurea.
What is the SMILES notation for hexylsulfonylurea?
The canonical SMILES for hexylsulfonylurea is CCCCCCS(=O)(=O)NC(N)=O.
What is the InChIKey of hexylsulfonylurea?
The InChIKey is GDTYBLJDMHNTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-3-4-5-6-13(11,12)9-7(8)10/h2-6H2,1H3,(H3,8,9,10).
What are the key properties of hexylsulfonylurea?
hexylsulfonylurea has a molecular weight of 208.28 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexylsulfonylurea is sourced from PubChem (CID 88600291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).